CID 53403515

2-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H10ClFO2
SMILES
CC(C)(C1=C(C=CC=C1Cl)F)C(=O)O
InChI
InChI=1S/C10H10ClFO2/c1-10(2,9(13)14)8-6(11)4-3-5-7(8)12/h3-5H,1-2H3,(H,13,14)
InChIKey
FSCJUPKYKKZCPL-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.03534 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.04262 140.5
[M+Na]+ 239.02456 150.3
[M-H]- 215.02806 142.2
[M+NH4]+ 234.06916 159.9
[M+K]+ 254.99850 146.2
[M+H-H2O]+ 199.03260 136.0
[M+HCOO]- 261.03354 155.9
[M+CH3COO]- 275.04919 184.9
[M+Na-2H]- 237.01001 145.0
[M]+ 216.03479 141.7
[M]- 216.03589 141.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe